Using Voronoi Grid and SVM Linear Regression in Drug Discovery. - A. Ammar Ghaibeh; Mikio Sasaki; Hiroshi Chuman (CIBCB, 2006)

VISCANA: Visualized Cluster Analysis of Protein-Ligand Interaction Based on the ab Initio Fragment Molecular Orbital Method for Virtual Ligand Screening. - Shinji Amari; Masahiro Aizawa; Junwei Zhang; Kaori Fukuzawa; Yuji Mochizuki; Yoshio Iwasawa; Kotoko Nakata; Hiroshi Chuman; Tatsuya Nakano (J. Chem. Inf. Model., 2006)

Screening for New Antidepressant Leads of Multiple Activities by Support Vector Machines. - Zsolt Lepp; Takashi Kinoshita; Hiroshi Chuman (J. Chem. Inf. Model., 2006)

Comparative Analysis of Binding Energy of Chymostatin with Human Cathepsin A and Its Homologous Proteins by Molecular Orbital Calculation. - Tatsusada Yoshida; Zsolt Lepp; Yoshito Kadota; Yurie Satoh; Kohji Itoh; Hiroshi Chuman (J. Chem. Inf. Model., 2006)

Correlation Analyses on Binding Affinity of Sialic Acid Analogues with Influenza Virus Neuraminidase-1 Using ab Initio MO Calculations on Their Complex Structures. - Seiji Hitaoka; Masataka Harada; Tatsusada Yoshida; Hiroshi Chuman (J. Chem. Inf. Model., 2010)

Correlation Analyses on Binding Affinity of Substituted Benzenesulfonamides with Carbonic Anhydrase Using ab Initio MO Calculations on Their Complex Structures. - Tatsusada Yoshida; Yohei Munei; Seiji Hitaoka; Hiroshi Chuman (J. Chem. Inf. Model., 2010)

Correlation Analyses on Binding Affinity of Sialic Acid Analogues and Anti-Influenza Drugs with Human Neuraminidase Using ab Initio MO Calculations on Their Complex Structures - LERE-QSAR Analysis (IV). - Seiji Hitaoka; Hiroshi Matoba; Masataka Harada; Tatsusada Yoshida; Daisuke Tsuji; Takatsugu Hirokawa; Kohji Itoh; Hiroshi Chuman (J. Chem. Inf. Model., 2011)

Binding Free-Energy Calculation Is a Powerful Tool for Drug Optimization: Calculation and Measurement of Binding Free Energy for 7-Azaindole Derivatives to Glycogen Synthase Kinase-3β. - Kunihiro Kitamura; Yunoshin Tamura; Tomokazu Ueki; Koji Ogata; Shigeho Noda; Ryutaro Himeno; Hiroshi Chuman (J. Chem. Inf. Model., 2014)